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Atlas of Kekulé Valence Structures of Buckminsterfullerene

Authors

Damir Vukičević

Harry W. Kroto

Milan Randić

Publisher

Croatian Chemical Society

Publication Date

Jun 15, 2005

Keywords

Kekulé Valence Structures

Buckminsterfullerene

C60

Abstract

The 12,500 Kekulé valence structures of Buckminsterfullerene C60, of which only 158 are symmetry distinct, show large variation in their forms and characteristics. We display all 158 symmetry distinct Kekulé valence structures which have been classified according to their innate degree of freedom (df), which varies from the maximal value of df = 10 to df = 5. The most important and unique Kekulé valence structure in which CC double bonds are exocyclic to pentagonal faces belongs to df = 10, while there are 36 symmetry distinct Kekulé structures associated with df = 5.

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